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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM48459'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor beta


(Homo sapiens (Human))
BDBM48459
PNG
(MLS000528223 | N-(3,4-Dimethyl-phenyl)-2-(4-tetraz...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-n2cnnn2)cc1C
Show InChI InChI=1S/C17H17N5O2/c1-12-3-4-14(9-13(12)2)19-17(23)10-24-16-7-5-15(6-8-16)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 23n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM48459
PNG
(MLS000528223 | N-(3,4-Dimethyl-phenyl)-2-(4-tetraz...)
Show SMILES Cc1ccc(NC(=O)COc2ccc(cc2)-n2cnnn2)cc1C
Show InChI InChI=1S/C17H17N5O2/c1-12-3-4-14(9-13(12)2)19-17(23)10-24-16-7-5-15(6-8-16)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair